![{[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate structure](/static/products/852/852296-48-1.png)
{[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate
TL;DR: {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 852296-48-1) is a chemical compound with molecular formula C24H21FN2O5S and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: {[(4-fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate, [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
| Molecular Formula | C24H21FN2O5S |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 3.7115 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.1155 |
| Heavy Atoms | 33 |
| Complexity | 1243.361 |
Chemical Identifiers
| CAS Number | 852296-48-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F |
Product Overview
{[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 852296-48-1), with molecular formula C24H21FN2O5S and molecular weight 468.12 g/mol. IUPAC: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate
Property Insights of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate
The XLogP value of 3.7115 indicates that {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate. Following Lipinski's Rule of Five, {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
The CAS number of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate is 852296-48-1.
What is the molecular formula of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular formula of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate is C24H21FN2O5S.
What is the molecular weight of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular weight of {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate is 468.12 g/mol.
Where can I buy {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
You can request a quote for {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for {[(4-Fluorophenyl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.